
 CHEMBL544132

 63 66  0  0  0  0  0  0  0  0999 V2000
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   11.1937    0.4159    2.9100 Br  0  0  0  0  0
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   11.1616   -2.7449    4.2886 H   0  0  0  0  0
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    9.1530    1.1867    0.7552 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL544132

>  <PubChem CID>
10746610

>  <Formula>
C27H24BrCl2N5O4

>  <Molecular Weight>
633.324000

>  <IUPAC Name>
2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)NC4=CC=CC(=C4)C(=O)C)Cl)Br

>  <Isomeric SMILES>
CC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)NC4=CC=CC(=C4)C(=O)C)Cl)Br

>  <InChI Std. ID>
InChI=1S/C27H24BrCl2N5O4/c1-15-25(28)35-11-5-8-22(26(35)32-15)39-14-19-20(29)9-10-21(24(19)30)34(3)23(37)13-31-27(38)33-18-7-4-6-17(12-18)16(2)36/h4-12H,13-14H2,1-3H3,(H2,31,33,38)

>  <InChI Key>
GBVJTSVWKWYYBP-UHFFFAOYSA-N

